{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4685152 -1.3404488 0.5791966 ] [ -0.4101876 0.8012846 0.7536986 ] [ -2.4688444 0.2153782 1.2236461 ] [ -0.7458132 -1.8632509 -3.5977888 ] [ 0.1135662 0.1882476 1.4807545 ] [ 2.3239056 2.0497223 -1.2364711 ] [ 1.6558887 -0.050933 0.7969641 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.506441061138368e-10 -2.147635746433339e-09 9.279752590122442e-10 ] [ -6.571929882765382e-10 1.283799463304036e-09 1.207558285998512e-09 ] [ -3.955524810661749e-09 3.450739195129788e-10 1.960497189705227e-09 ] [ -1.194924482368769e-09 -2.98525705525947e-09 -5.764293149426899e-09 ] [ 1.819531120521708e-10 3.016059061265783e-10 2.372430260590353e-09 ] [ 3.72330725194175e-09 3.284017175248738e-09 -1.981045105036277e-09 ] [ 2.653026183644636e-09 -8.160366249952199e-11 1.276877259156839e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.431143005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.632559339375008e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.7773215 1.0958817 3.2851251 ] [ 1.39718 3.3164943 3.8558128 ] [ 2.2031445 5.3348481 3.0595008 ] [ 2.3689749 2.3679441 2.0041549 ] [ 3.1497497 2.4818451 5.1437982 ] [ 3.8462595 4.1255052 1.9662821 ] [ 5.031855 3.1034561 3.6916482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.7773215e-10 1.0958817e-10 3.2851251e-10 ] [ 1.39718e-10 3.3164943e-10 3.8558128e-10 ] [ 2.2031445e-10 5.3348481e-10 3.0595008e-10 ] [ 2.3689749e-10 2.3679441e-10 2.0041549e-10 ] [ 3.1497497e-10 2.4818451e-10 5.143798200000001e-10 ] [ 3.8462595e-10 4.1255052e-10 1.9662821e-10 ] [ 5.031855e-10 3.1034561e-10 3.6916482e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-06 1.35e-05 2.9e-06 ] [ -4.1e-06 2.1e-06 5.6e-06 ] [ 2.9e-06 5.4e-06 1.4e-06 ] [ -9.6e-06 -6.7e-06 -1.4e-06 ] [ 6.3e-06 -1.22e-05 -1.94e-05 ] [ 1.16e-05 -1.99e-05 7.4e-06 ] [ -5.3e-06 1.78e-05 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.0441356046e-15 2.162938455899999e-14 4.6463122386e-15 ] [ -6.568924199399999e-15 3.364570931399999e-15 8.972189150399999e-15 ] [ 4.6463122386e-15 8.6517538236e-15 2.2430472876e-15 ] [ -1.53808956864e-14 -1.07345834478e-14 -2.2430472876e-15 ] [ 1.00937127942e-14 -1.95465549348e-14 -3.10822266996e-14 ] [ 1.85852489544e-14 -3.18833150166e-14 1.18561070916e-14 ] [ -8.4915361602e-15 2.851874408519999e-14 5.607618218999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.329594005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.257160049474401e-18 } }