{ "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" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 5.73484 5.350585 5.112439 4.939414 4.803437 4.691407 4.596139 4.513265 4.439926 4.374155 4.314534 4.26001 4.209781 4.163218 4.119824 4.079193 4.040996 4.004956 3.970844 3.938463 3.907646 3.878249 3.850147 3.82323 3.796019 3.767977 3.739053 3.70919 3.678323 3.646384 3.613296 3.578972 3.543316 3.506222 3.467567 3.427216 3.385011 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.73484e-10 5.350584999999999e-10 5.112439e-10 4.939414000000001e-10 4.803437e-10 4.691407e-10 4.5961390000000003e-10 4.513265e-10 4.439926e-10 4.3741550000000004e-10 4.3145340000000004e-10 4.2600100000000004e-10 4.2097810000000004e-10 4.1632179999999997e-10 4.1198240000000005e-10 4.079193e-10 4.040996e-10 4.004956e-10 3.970844e-10 3.938463e-10 3.907646e-10 3.878249e-10 3.8501470000000005e-10 3.82323e-10 3.796019e-10 3.767977e-10 3.7390530000000006e-10 3.70919e-10 3.6783229999999997e-10 3.646384e-10 3.613296e-10 3.578972e-10 3.543316e-10 3.5062220000000006e-10 3.467567e-10 3.427216e-10 3.385011e-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" [ 0.81092 1.21168 1.56631 1.89085 2.19236 2.47444 2.74033 2.99054 3.2256 3.44651 3.65309 3.84534 4.02341 4.18743 4.33692 4.4717 4.59159 4.69665 4.78627 4.86014 4.91797 4.95967 4.98537 4.99401 4.98426 4.95163 4.8901 4.79204 4.64767 4.44451 4.16644 3.79301 3.2958 2.638 1.77037 0.625674 -0.888154 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.29923707604328e-19 1.9413253838851201e-19 2.50950528360054e-19 3.0294756883988995e-19 3.51254796531624e-19 3.96448995023496e-19 4.390492695449219e-19 4.79137331104236e-19 5.167980950630399e-19 5.521917790847339e-19 5.85289543989906e-19 6.16091389778556e-19 6.44621349100194e-19 6.709002502510619e-19 6.94851188752728e-19 7.1644532542577995e-19 7.35653821090806e-19 7.524862888076099e-19 7.668449958015179e-19 7.78680274596876e-19 7.87945662071298e-19 7.94626738635078e-19 7.987443325844579e-19 8.00128613196234e-19 7.985664909780839e-19 7.933385886213419e-19 7.8348039579234e-19 7.677694517193359e-19 7.446388276542779e-19 7.12089007157934e-19 6.675372814962959e-19 6.07707199452834e-19 5.2804537503371995e-19 4.2265419604919994e-19 2.83644544753458e-19 1.0024402633013158e-19 -1.422979586193636e-19 ] } }