{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.049795 0.7119441 0.3423404 ] [ 0.1447331 1.623908 1.772641 ] [ 2.54973 0.1092944 1.824085 ] [ 1.77811 2.382187 0.8238028 ] [ 2.019176 2.140924 2.983896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.9795e-12 7.119441e-11 3.423404e-11 ] [ 1.447331e-11 1.623908e-10 1.772641e-10 ] [ 2.54973e-10 1.092944e-11 1.824085e-10 ] [ 1.77811e-10 2.382187e-10 8.238028e-11 ] [ 2.019176e-10 2.140924e-10 2.983896e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.4849029 -10.5994294 -7.0226718 ] [ -5.7497857 -11.7345488 3.2850471 ] [ -11.9909846 3.4079537 -2.2304987 ] [ 14.3732254 13.1942538 -12.8874679 ] [ 10.8524479 5.7317706 18.8555912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.199213653413884e-08 -1.698215811841264e-08 -1.125156066621072e-08 ] [ -9.212172299047333e-09 -1.880081989789274e-08 5.263225705209461e-09 ] [ -1.921167534477384e-08 5.460143787893845e-09 -3.573652899307376e-09 ] [ 2.30284458910953e-08 2.113952514142571e-08 -2.064799994080505e-08 ] [ 1.738753844708236e-08 9.183308926768158e-09 3.020998764089601e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.1620227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.668295520117591e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3392993 0.5099716 -0.0644397 ] [ 0.016695 1.5574116 2.2352347 ] [ 2.0964773 0.1669013 1.747843 ] [ 1.8117722 2.4566299 0.664979 ] [ 2.2773003 2.2773431 3.1631482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.392993e-11 5.099716e-11 -6.443970000000001e-12 ] [ 1.6695e-12 1.5574116e-10 2.2352347e-10 ] [ 2.0964773e-10 1.669013e-11 1.747843e-10 ] [ 1.8117722e-10 2.4566299e-10 6.64979e-11 ] [ 2.2773003e-10 2.2773431e-10 3.1631482e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.64e-05 7.2e-06 9.17e-05 ] [ -4.8e-05 -4.1e-05 -0.0001453 ] [ -5.06e-05 -4.93e-05 3.74e-05 ] [ -7.98e-05 9.19e-05 -4.68e-05 ] [ 0.000132 -8.7e-06 6.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.43409958176e-14 1.15356717648e-14 1.469195973378e-13 ] [ -7.690447843199999e-14 -6.568924199399999e-14 -2.327962649202e-13 ] [ -8.107013768039999e-14 -7.89873080562e-14 5.99214061116e-14 ] [ -1.278536953932e-13 1.472400326646e-13 -7.498186647119999e-14 ] [ 2.11487315688e-13 -1.39389367158e-14 1.007769102786e-13 ] ] } "relaxed-potential-energy" { "source-value" -17.756113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.844842935926364e-18 } }