{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2316745 0.410493 1.3683169 ] [ 0.4875461 -6.3486582 1.8472956 ] [ -3.0578355 1.6949911 -0.8197992 ] [ 5.8408413 -14.5362109 -6.041876 ] [ -0.5812911 -4.2514189 6.7697485 ] [ -1.6451054 20.5427616 2.3955917 ] [ -1.2758298 2.4880422 -5.5192774 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.711834705936329e-10 6.576822930205619e-10 2.192285365087314e-09 ] [ 7.811349694178274e-10 -1.01716718252925e-08 2.95969384641101e-09 ] [ -4.899192588715707e-09 2.715675135257957e-09 -1.313463122811893e-09 ] [ 9.358059453762183e-09 -2.328957745087611e-08 -9.680152552725383e-09 ] [ -9.313310179721571e-10 -6.811524022925982e-09 1.084633286475655e-08 ] [ -2.635749432347224e-09 3.291313263335245e-08 3.838161046344338e-09 ] [ -2.044104694520893e-09 3.986283077245955e-09 -8.84285728684427e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.29678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.450814349143852e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7784129 1.6884808 0.9429012 ] [ 3.1222157 0.7404606 2.8169822 ] [ 2.1954449 3.1301019 2.9021033 ] [ 5.0638828 2.2473548 2.1219651 ] [ 4.0915394 2.4729749 4.4051415 ] [ 4.2973997 4.4965038 2.8723627 ] [ 3.4087346 3.5570302 0.6835037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7784129e-10 1.6884808e-10 9.429012e-11 ] [ 3.1222157e-10 7.404606e-11 2.8169822e-10 ] [ 2.1954449e-10 3.1301019e-10 2.9021033e-10 ] [ 5.0638828e-10 2.2473548e-10 2.1219651e-10 ] [ 4.091539400000001e-10 2.4729749e-10 4.4051415e-10 ] [ 4.2973997e-10 4.4965038e-10 2.8723627e-10 ] [ 3.4087346e-10 3.5570302e-10 6.835037000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001474 3.6e-05 9.38e-05 ] [ -7.72e-05 -8.01e-05 4.89e-05 ] [ -1.26e-05 2.69e-05 6.8e-06 ] [ 2.33e-05 -2.13e-05 -0.0001356 ] [ -2.18e-05 7.07e-05 -2.74e-05 ] [ -7.58e-05 -8.48e-05 5.69e-05 ] [ 1.66e-05 5.26e-05 -4.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.361608358516e-13 5.7678358824e-14 1.502841682692e-13 ] [ -1.236880361448e-13 -1.283343483834e-13 7.834643740259999e-14 ] [ -2.01874255884e-14 4.309855145459999e-14 1.08948011112e-14 ] [ 3.733071557219999e-14 -3.41263623042e-14 -2.172551515703999e-13 ] [ -3.492745062119999e-14 1.132738880238e-13 -4.389963977159999e-14 ] [ -1.214449888572e-13 -1.358645785632e-13 9.116385047459999e-14 ] [ 2.65961321244e-14 8.42744909484e-14 -6.969468357899999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.649797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.468679888424329e-18 } }