{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.430797 0.9143471 3.003228 ] [ 2.900858 2.600657 5.132587 ] [ 1.698571 3.470708 2.452381 ] [ 4.30988 2.177249 1.737833 ] [ 5.127339 2.024866 3.874492 ] [ 3.797222 3.704908 3.463102 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.430797e-10 9.143471e-11 3.003228e-10 ] [ 2.900858e-10 2.600657e-10 5.132587e-10 ] [ 1.698571e-10 3.470708e-10 2.452381e-10 ] [ 4.30988e-10 2.177249e-10 1.737833e-10 ] [ 5.127339e-10 2.024866e-10 3.874492e-10 ] [ 3.797222e-10 3.704908e-10 3.463102e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2820131 12.1337809 12.2658258 ] [ -35.63658 -53.9430455 31.1015507 ] [ -23.1986686 -12.4076229 -10.5481684 ] [ -1.8157182 -36.6436285 -49.241638 ] [ 46.5463842 -41.2954418 27.3726766 ] [ 19.3865956 132.1559578 -10.9502467 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.462717899579333e-09 1.944046007988958e-08 1.965201933156545e-08 ] [ -5.709609532126887e-08 -8.642628635485065e-08 4.983017740216587e-08 ] [ -3.716836446460706e-08 -1.98792033300827e-08 -1.690002880274134e-08 ] [ -2.909101250001059e-09 -5.870956488398057e-08 -7.889380117349687e-08 ] [ 7.45755285480145e-08 -6.616259139756707e-08 4.385586249723923e-08 ] [ 3.106075022722415e-08 2.117371858865914e-07 -1.754422925473235e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 39.448815 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.320396911126436e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9930667 0.9671147 2.8462415 ] [ 2.9910589 2.0261166 5.2256537 ] [ 1.2886791 3.6659135 2.3311814 ] [ 4.4187206 1.7254437 1.6972267 ] [ 5.7061762 2.1044915 4.2517046 ] [ 3.8669655 4.403655 3.3116152 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9930667e-10 9.671147e-11 2.8462415e-10 ] [ 2.9910589e-10 2.0261166e-10 5.225653699999999e-10 ] [ 1.2886791e-10 3.6659135e-10 2.3311814e-10 ] [ 4.418720600000001e-10 1.7254437e-10 1.6972267e-10 ] [ 5.7061762e-10 2.1044915e-10 4.2517046e-10 ] [ 3.8669655e-10 4.403655e-10 3.3116152e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 -2.63e-05 -3e-06 ] [ -1.32e-05 1.46e-05 -5.3e-06 ] [ 2.01e-05 1.15e-05 2.6e-05 ] [ 4.6e-06 7.2e-06 -1.25e-05 ] [ -5.4e-06 1.03e-05 4.4e-06 ] [ -2.3e-06 -1.73e-05 -9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-15 -4.213724512704e-14 -4.8065298624e-15 ] [ -2.114873139456e-14 2.339177866368e-14 -8.491536090240001e-15 ] [ 3.220375007808e-14 1.84250311392e-14 4.16565921408e-14 ] [ 7.370012455680001e-15 1.153567166976e-14 -2.002720776e-14 ] [ -8.65175375232e-15 1.650241919424e-14 7.04957713152e-15 ] [ -3.68500622784e-15 -2.771765553984e-14 -1.538089555968e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.337879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457399114645928e-18 } }