{ "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" [ "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 6.09538 5.686968 5.43385 5.249947 5.105421 4.986348 4.885091 4.797006 4.719057 4.649151 4.585781 4.52783 4.474443 4.424953 4.37883 4.335645 4.295046 4.256741 4.220484 4.186067 4.153313 4.122068 4.092199 4.06359 4.034668 4.004863 3.974121 3.942379 3.909572 3.875625 3.840457 3.803974 3.766077 3.72665 3.685565 3.642677 3.597819 3.550802 3.501408 3.449383 3.394432 3.336205 3.274287 3.208179 3.137271 3.060811 2.977857 2.887201 2.787266 2.675932 2.550261 2.406008 2.236706 2.03179 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.09538e-10 5.686968e-10 5.43385e-10 5.249947e-10 5.105421e-10 4.986347999999999e-10 4.885091e-10 4.797006e-10 4.719057000000001e-10 4.649151e-10 4.585781e-10 4.52783e-10 4.4744430000000003e-10 4.424953000000001e-10 4.37883e-10 4.3356450000000004e-10 4.2950460000000003e-10 4.256741e-10 4.220484e-10 4.1860670000000005e-10 4.153313e-10 4.122068e-10 4.0921990000000003e-10 4.0635899999999997e-10 4.034668e-10 4.0048630000000004e-10 3.9741209999999997e-10 3.942379e-10 3.909572e-10 3.875625e-10 3.840457e-10 3.8039740000000005e-10 3.7660770000000005e-10 3.7266499999999997e-10 3.685565e-10 3.642677e-10 3.597819e-10 3.550802e-10 3.5014080000000004e-10 3.4493830000000003e-10 3.394432e-10 3.3362050000000004e-10 3.274287e-10 3.208179e-10 3.137271e-10 3.0608110000000003e-10 2.9778570000000004e-10 2.8872010000000004e-10 2.787266e-10 2.675932e-10 2.550261e-10 2.406008e-10 2.236706e-10 2.03179e-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00211103 0.179838 0.578248 1.08476 1.59424 2.03234 2.36096 2.57278 2.68134 2.7113 2.68846 2.63505 2.57583 2.52843 2.47623 2.41477 2.34261 2.258 2.15889 2.04277 1.90665 1.74686 1.55888 1.33714 1.07467 0.762682 0.389957 -0.0580067 -0.600195 -1.26186 -2.07721 -3.24762 -5.90409 -10.086 -14.1482 -18.2235 -23.8523 -47.1689 -85.6842 -143.52 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3822429396730196e-22 2.88132241505292e-20 9.26455434257232e-20 1.7379771254978399e-19 2.55425407698816e-19 3.25616766034356e-19 3.78267494580864e-19 4.1220480004225193e-19 4.29598029580956e-19 4.3439815077642e-19 4.30738779344364e-19 4.2218155394216997e-19 4.1269346391562193e-19 4.05099146670462e-19 3.96735784640982e-19 3.8688880704841793e-19 3.75327500457474e-19 3.617714839572e-19 3.45892311337626e-19 3.27287836263618e-19 3.0547900792161e-19 2.79877827486924e-19 2.49760111120992e-19 2.14233446438676e-19 1.72181116326078e-19 1.221951279572388e-19 6.247799936647379e-20 -9.29369793554478e-21 -9.6161840484363e-20 -2.0217226073792398e-19 -3.32805732591114e-19 -5.203260880111079e-19 -9.45939504303306e-19 -1.6159553530523998e-18 -2.2667915453158798e-18 -2.9197265889699e-18 -3.8215597727158196e-18 -7.55729094314826e-18 -1.372812231429828e-17 -2.2994439051168e-17 ] } }