{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2177679 -1.6631213 -3.5398001 ] [ -1.5528129 1.6679419 -0.5707772 ] [ -0.2274568 -2.1580222 3.9300851 ] [ -1.416429 3.2802098 -2.9334156 ] [ 0.7172749 0.1892299 -0.3149807 ] [ 2.2501955 0.1029295 -0.4048691 ] [ 0.0114603 -1.4191677 3.8337576 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.489026410152485e-10 -2.664614086367704e-09 -5.671385009250863e-09 ] [ -2.487880545353778e-09 2.672337539049564e-09 -9.144858930599447e-10 ] [ -3.644259702044111e-10 -3.457532744493274e-09 6.296690516851553e-09 ] [ -2.269369447519986e-09 5.255475496177813e-09 -4.69984993213109e-09 ] [ 1.149201084934687e-09 3.031797242341566e-10 -5.046547177009637e-10 ] [ 3.605210652031946e-09 1.64911239849303e-10 -6.486718118486093e-10 ] [ 1.83614248786302e-11 -2.273757328667522e-09 6.142356847139918e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.163076005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.74982793440036e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7605465 1.5866398 0.853251 ] [ 0.9832338 2.7303892 1.843066 ] [ 1.608422 1.5728247 3.7707394 ] [ 2.5956672 4.3076328 2.4872917 ] [ 3.8748671 1.4047161 2.9787068 ] [ 4.3946321 3.2332012 1.4911608 ] [ 3.232131 3.2192651 4.4349383 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7605465e-10 1.5866398e-10 8.53251e-11 ] [ 9.832338e-11 2.7303892e-10 1.843066e-10 ] [ 1.608422e-10 1.5728247e-10 3.7707394e-10 ] [ 2.5956672e-10 4.307632800000001e-10 2.4872917e-10 ] [ 3.8748671e-10 1.4047161e-10 2.9787068e-10 ] [ 4.3946321e-10 3.2332012e-10 1.4911608e-10 ] [ 3.232131e-10 3.2192651e-10 4.4349383e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.5e-06 2.6e-06 1.14e-05 ] [ -2.94e-05 -4.6e-06 -1e-05 ] [ 4.6e-06 2.23e-05 4.2e-06 ] [ 1.09e-05 -2.42e-05 2.9e-06 ] [ 1.06e-05 1.09e-05 -8.1e-06 ] [ 8.8e-06 7.3e-06 1.41e-05 ] [ -2.9e-06 -1.44e-05 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.005441585e-15 4.165659248399999e-15 1.82648136276e-14 ] [ -4.710399303959999e-14 -7.370012516399999e-15 -1.602176634e-14 ] [ 7.370012516399999e-15 3.572853893819999e-14 6.729141862799999e-15 ] [ 1.74637253106e-14 -3.877267454279999e-14 4.6463122386e-15 ] [ 1.69830723204e-14 1.74637253106e-14 -1.29776307354e-14 ] [ 1.40991543792e-14 1.16958894282e-14 2.25906905394e-14 ] [ -4.6463122386e-15 -2.30713435296e-14 -2.33917788564e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }