{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3229489 -1.1646863 -10.7249088 ] [ -13.0840145 -4.9661253 11.0851203 ] [ -6.5273313 12.0480549 -4.6796126 ] [ 1.5019938 -8.9352634 -5.6791832 ] [ 10.1841578 3.6093493 -8.7913607 ] [ 9.6438478 -6.6933665 8.0253163 ] [ 4.6042954 6.1020374 10.7646286 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.013048090209308e-08 -1.866033160426055e-09 -1.718319813957218e-08 ] [ -2.09629021381082e-08 -7.956609851623387e-09 1.776032058341548e-08 ] [ -1.045793760507607e-08 1.930311188689488e-08 -7.497565902121102e-09 ] [ 2.406459350946551e-09 -1.431587012016992e-08 -9.09905454828013e-09 ] [ 1.631681952969796e-08 5.782815064760845e-09 -1.408531257855992e-08 ] [ 1.545114747971351e-08 -1.072395532074592e-08 1.285797415038516e-08 ] [ 7.376894445136984e-09 9.776541661527218e-09 1.724683627451504e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.838711 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.697858908860779e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4207208 1.5713045 1.2398034 ] [ 1.3707326 1.5783257 2.8524695 ] [ 2.3963914 4.5322285 3.5001675 ] [ 4.2820603 0.7058996 2.3540773 ] [ 4.8964948 2.5160047 1.6578695 ] [ 4.9623017 0.1216352 4.162596 ] [ 4.0573834 4.3404181 4.3668889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.207208e-11 1.5713045e-10 1.2398034e-10 ] [ 1.3707326e-10 1.5783257e-10 2.8524695e-10 ] [ 2.3963914e-10 4.5322285e-10 3.5001675e-10 ] [ 4.282060300000001e-10 7.058996e-11 2.3540773e-10 ] [ 4.8964948e-10 2.5160047e-10 1.6578695e-10 ] [ 4.962301700000001e-10 1.216352e-11 4.162596e-10 ] [ 4.0573834e-10 4.3404181e-10 4.3668889e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1494884 0.0266962 0.1929875 ] [ -0.3579699 -0.2435439 -0.2056943 ] [ -0.6669895 0.7010605 1.2092742 ] [ -0.0733011 0.457841 -0.2755129 ] [ 0.8977352 -1.4501261 1.9060482 ] [ 0.0182502 0.7952268 -1.12177 ] [ 0.0327867 -0.2871544 -1.7053326 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.395068195607987e-10 4.277202750420096e-11 3.0920006060664e-10 ] [ -5.73531004730114e-10 -3.902003427184532e-10 -3.295585984918214e-10 ] [ -1.068634983219082e-09 1.123222742866358e-09 1.937470851376624e-09 ] [ -1.174413086989229e-10 7.335421462436928e-10 -4.414203271088083e-10 ] [ 1.438330349109212e-09 -2.323358134631883e-09 3.053825864157923e-09 ] [ 2.924004376492416e-11 1.274093787193597e-09 -1.797273667914816e-09 ] [ 5.253008421318337e-11 -4.600720662398515e-10 -2.732244022408078e-09 ] ] } "relaxed-potential-energy" { "source-value" -35.799116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.735650670050721e-18 } }