{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9701738 0.435353 0.8614305 ] [ 0.785215 2.880742 2.663197 ] [ 2.41347 1.4145 0.9828772 ] [ 2.657499 1.219941 2.828683 ] [ 1.63309 2.566255 0.271655 ] [ 2.657105 2.943765 2.654332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.701738e-11 4.35353e-11 8.614305e-11 ] [ 7.85215e-11 2.880742e-10 2.663197e-10 ] [ 2.41347e-10 1.4145e-10 9.828772e-11 ] [ 2.657499e-10 1.219941e-10 2.828683e-10 ] [ 1.63309e-10 2.566255e-10 2.71655e-11 ] [ 2.657105e-10 2.943765e-10 2.654332e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.3999903 -22.1540845 -8.2477379 ] [ -26.0652275 15.2887857 15.5062027 ] [ -15.5205133 20.3680076 -42.1996139 ] [ 15.0914971 -9.1264481 22.2589015 ] [ 20.8989486 -18.3491338 -5.4696165 ] [ 17.9952854 13.972873 18.151864 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.986697455680678e-08 -3.549475624112766e-08 -1.321433283786609e-08 ] [ -4.176109811633323e-08 2.449533500896136e-08 2.484367544332583e-08 ] [ -2.486660355207545e-08 3.263314558899672e-08 -6.761123479736672e-08 ] [ 2.4179243826491e-08 -1.462218177676458e-08 3.566269158799005e-08 ] [ 3.348380684622089e-08 -2.939855318629106e-08 -8.763291681041923e-09 ] [ 2.883162555250358e-08 2.238701044600756e-08 2.908249212474117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 337.94726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.414511990354191e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7842633 0.1118287 0.7442958 ] [ 0.4069229 3.0981816 2.8840451 ] [ 2.0652039 2.0097505 0.2833565 ] [ 2.8738944 1.0761867 3.154541 ] [ 2.0652039 2.0097505 0.2833565 ] [ 2.9210642 3.154858 2.91258 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.842633000000001e-11 1.118287e-11 7.442958e-11 ] [ 4.069229e-11 3.0981816e-10 2.8840451e-10 ] [ 2.0652039e-10 2.0097505e-10 2.833565e-11 ] [ 2.8738944e-10 1.0761867e-10 3.154541e-10 ] [ 2.0652039e-10 2.0097505e-10 2.833565e-11 ] [ 2.9210642e-10 3.154858e-10 2.91258e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -16.1608796 -24.4813586 -2.3995782 ] [ -18.3713956 9.1142172 9.196349 ] [ -6.688310906234308e+109 -6.688310906234308e+109 -8.360388632792885e+108 ] [ 9.1652107 -18.5167836 15.0380566 ] [ 6.688310906234308e+109 6.688310906234308e+109 8.360388632792885e+108 ] [ 14.3275172 20.1615154 10.2505895 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.589258346668366e-08 -3.922346039434102e-08 -3.844548091821347e-09 ] [ -2.943422052178799e-08 1.460258571473324e-08 1.473417536451746e-08 ] [ -1.071585536661027e+101 -1.071585536661027e+101 -1.339481920826284e+100 ] [ 1.4684286308246e-08 -2.966715777633286e-08 2.409362270678714e-08 ] [ 1.071585536661027e+101 1.071585536661027e+101 1.339481920826284e+100 ] [ 2.295521309194988e-08 3.230230861377916e-08 1.642325484631796e-08 ] ] } "relaxed-potential-energy" { "source-value" -9.9780382e+93 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.598657952548931e+75 } }