{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9161492 -3.1126242 -6.4187184 ] [ 0.6905602 -0.0937294 -0.5173776 ] [ -2.2204637 -0.9373564 4.177842 ] [ -0.9330275 -4.0842926 -2.9743225 ] [ 2.4853226 2.8590923 3.1466501 ] [ -0.058941 0.1609134 -0.9214935 ] [ 5.9526985 5.207997 3.50742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.478715933404624e-09 -4.986973722576303e-09 -1.028392055597878e-08 ] [ 1.106399407694972e-09 -1.501710533616115e-10 -8.289302948456141e-10 ] [ -3.557575027475065e-09 -1.501810509437253e-09 6.693640777796313e-09 ] [ -1.494874847063472e-09 -6.543758116226448e-09 -4.765389972219408e-09 ] [ 3.98192576486587e-09 4.5807708397693e-09 5.041489224057983e-09 ] [ -9.44338922065728e-11 2.578116874534387e-10 -1.476395341919165e-09 ] [ 9.53727436737123e-09 8.344131034596537e-09 5.619506323326336e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.31549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.133376677249619e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7851778 3.0757606 1.4972576 ] [ 2.2958173 0.791808 2.3727198 ] [ 2.7552807 2.8379945 3.8770319 ] [ 4.5223729 0.1467076 2.7713582 ] [ 5.2125495 2.0535304 3.9631261 ] [ 3.5276862 4.5957257 1.066 ] [ 4.7019096 4.3374851 3.0876651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7851778e-10 3.0757606e-10 1.4972576e-10 ] [ 2.2958173e-10 7.91808e-11 2.3727198e-10 ] [ 2.7552807e-10 2.8379945e-10 3.8770319e-10 ] [ 4.5223729e-10 1.467076e-11 2.7713582e-10 ] [ 5.2125495e-10 2.0535304e-10 3.9631261e-10 ] [ 3.5276862e-10 4.5957257e-10 1.066e-10 ] [ 4.701909599999999e-10 4.337485100000001e-10 3.0876651e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 -9e-07 5.3e-06 ] [ -3.3e-06 -1.03e-05 5.8e-06 ] [ 1.3e-06 -6e-07 7.8e-06 ] [ 1.12e-05 2.15e-05 1.8e-06 ] [ -2.29e-05 -1.31e-05 -1.03e-05 ] [ 6.9e-06 7.2e-06 -5.3e-06 ] [ 7e-07 -3.8e-06 -5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.93349504896e-15 -1.44195895872e-15 8.491536090240001e-15 ] [ -5.28718284864e-15 -1.650241919424e-14 9.292624400640001e-15 ] [ 2.08282960704e-15 -9.6130597248e-16 1.249697764224e-14 ] [ 1.794437815296e-14 3.44467973472e-14 2.88391791744e-15 ] [ -3.668984461632e-14 -2.098851373248e-14 -1.650241919424e-14 ] [ 1.105501868352e-14 1.153567166976e-14 -8.491536090240001e-15 ] [ 1.12152363456e-15 -6.08827115904e-15 -8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.711567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.837705856513279e-18 } }