{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.75369 6.301168 6.020713 5.816947 5.656812 5.524879 5.412686 5.315087 5.22872 5.151263 5.08105 5.016839 4.957686 4.902851 4.851747 4.803898 4.758914 4.716472 4.676299 4.638165 4.601873 4.567253 4.534159 4.50246 4.470414 4.437391 4.403328 4.368159 4.331809 4.294196 4.255229 4.214806 4.172816 4.129131 4.083609 4.036089 3.986386 3.934292 3.879563 3.82192 3.761034 3.696519 3.627914 3.554666 3.4761 3.391384 3.29947 3.199024 3.088295 2.964938 2.825695 2.665862 2.478276 2.25123 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.75369e-10 6.301168e-10 6.020713e-10 5.816947e-10 5.656812e-10 5.524879000000001e-10 5.412686e-10 5.315087000000001e-10 5.22872e-10 5.151263e-10 5.081050000000001e-10 5.016839000000001e-10 4.957686e-10 4.902851000000001e-10 4.851746999999999e-10 4.803898000000001e-10 4.758914e-10 4.716472000000001e-10 4.676299e-10 4.6381650000000003e-10 4.6018730000000006e-10 4.5672530000000004e-10 4.534159e-10 4.5024600000000004e-10 4.470414e-10 4.437391e-10 4.4033280000000003e-10 4.3681590000000003e-10 4.3318089999999997e-10 4.2941960000000003e-10 4.255229e-10 4.2148060000000006e-10 4.172816e-10 4.1291310000000003e-10 4.083609e-10 4.036089e-10 3.986386e-10 3.934292e-10 3.8795630000000003e-10 3.82192e-10 3.761034e-10 3.696519e-10 3.6279140000000003e-10 3.554666e-10 3.4761000000000005e-10 3.391384e-10 3.29947e-10 3.1990240000000004e-10 3.088295e-10 2.964938e-10 2.8256950000000003e-10 2.6658620000000004e-10 2.478276e-10 2.2512300000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.319848 0.486214 0.621272 0.737857 0.837044 0.923713 1.00013 1.06782 1.12791 1.18127 1.22862 1.27059 1.30793 1.34175 1.37266 1.39954 1.42189 1.4403 1.4553 1.46719 1.47619 1.48246 1.48613 1.48733 1.48604 1.48185 1.47423 1.46255 1.44608 1.42398 1.39535 1.3591 1.3133 1.25539 1.18292 1.09298 0.98181 0.844571 0.675087 0.465872 0.208298 -0.113379 -0.51988 -1.03524 -1.69381 -2.54422 -3.66102 -5.14656 -7.16126 -9.98395 -14.0472 -20.1196 -29.6715 -45.6259 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.12452992031632e-20 7.79000709923676e-20 9.95387481758448e-20 1.182177244633338e-19 1.341092338429896e-19 1.479951385122042e-19 1.60238491696242e-19 1.71083625331788e-19 1.8071110472549398e-19 1.89260319244518e-19 1.96846625606508e-19 2.03570960939406e-19 2.0955348849076199e-19 2.1497204986695e-19 2.1992437784264397e-19 2.2423102863483596e-19 2.27811893411826e-19 2.3076150059502e-19 2.3316476554602e-19 2.3506975356384596e-19 2.3651171253444597e-19 2.37516277283964e-19 2.38104276108642e-19 2.3829653730472197e-19 2.38089856518936e-19 2.3741854450929e-19 2.36197685914182e-19 2.3432634360566996e-19 2.31687558689472e-19 2.2814674832833197e-19 2.2355971662519e-19 2.1775182632693996e-19 2.1041385734321996e-19 2.0113565245572598e-19 1.8952467838912798e-19 1.75114701742932e-19 1.5730330410275397e-19 1.3531519219540138e-19 1.0816086173171579e-19 7.46409232834848e-20 3.33730188508932e-20 -1.8165318458628598e-20 -8.3293958848392e-20 -1.6586373385821597e-19 -2.7137828044355397e-19 -4.07628983575548e-19 -5.86560070060668e-19 -8.245698177479039e-19 -1.147360344199884e-18 -1.5996051405024298e-18 -2.25060956131248e-18 -3.2235153005426395e-18 -4.7538983995731e-18 -7.31007508852206e-18 ] } }