{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14671 7.60085 7.262548 7.016754 6.823589 6.664443 6.529109 6.41138 6.307199 6.213766 6.12907 6.051615 5.980261 5.914116 5.852472 5.794753 5.740491 5.689294 5.640835 5.594836 5.551058 5.509298 5.469377 5.43114 5.405109 5.377713 5.3488 5.318192 5.285679 5.251007 5.213869 5.173887 5.130589 5.083376 5.031467 4.973825 4.909024 4.83503 4.748798 4.645461 4.516509 4.34491 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14671e-10 7.600850000000001e-10 7.262548e-10 7.016754e-10 6.823589000000001e-10 6.664443000000001e-10 6.529109e-10 6.41138e-10 6.307199e-10 6.213766e-10 6.12907e-10 6.051615e-10 5.980260999999999e-10 5.914116e-10 5.852472e-10 5.794753e-10 5.740491e-10 5.689294e-10 5.640835000000001e-10 5.594836e-10 5.551058000000001e-10 5.509298e-10 5.469377e-10 5.43114e-10 5.405109000000001e-10 5.377713e-10 5.3488e-10 5.318192e-10 5.285679e-10 5.251007000000001e-10 5.213869e-10 5.173887e-10 5.130588999999999e-10 5.083376000000001e-10 5.031467e-10 4.973825e-10 4.909024e-10 4.83503e-10 4.748798e-10 4.645461e-10 4.516509e-10 4.3449099999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ -0.00586013 0.283343 0.808162 1.3914 1.94171 2.41928 2.81669 3.14177 3.40651 3.62596 3.81082 3.96803 4.10155 4.21442 4.30923 4.38802 4.45252 4.50464 4.54612 4.57836 4.60238 4.61871 4.62785 4.63063 4.6294 4.62557 4.61889 4.60909 4.59589 4.57897 4.55805 4.53276 4.50225 4.46537 4.42067 4.36628 4.28927 4.13306 3.85853 3.46892 3.00988 2.63015 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -9.38896335820242e-22 4.53965534007462e-20 1.294818272886708e-19 2.2292685685476e-19 3.1109623920041397e-19 3.8761138871035197e-19 4.512834903221459e-19 5.03367048340218e-19 5.457830725487339e-19 5.809428387818639e-19 6.10560676037988e-19 6.357484949011019e-19 6.571407573182699e-19 6.752245249862279e-19 6.90414761653182e-19 7.03038311352468e-19 7.133723506417679e-19 7.21722895258176e-19 7.28368723936008e-19 7.335341414040239e-19 7.37382569678892e-19 7.39998924122214e-19 7.414633135656899e-19 7.41908718669942e-19 7.4171165094396e-19 7.410980172931379e-19 7.40027763301626e-19 7.384576302003059e-19 7.363427570434259e-19 7.33631874178698e-19 7.302801206603699e-19 7.262282159529839e-19 7.2133997504265e-19 7.154311476164579e-19 7.08269418062478e-19 6.995551793501519e-19 6.87216817091718e-19 6.62189215892004e-19 6.18204660758802e-19 5.557822569215279e-19 4.822359407143919e-19 4.2139648739150996e-19 ] } }