{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7222243 -1.0835894 -0.2332506 ] [ -1.5371009 -0.2474501 -1.0237134 ] [ -4.4795964 3.9463058 0.7384934 ] [ 1.8954544 -1.0301657 -0.7918328 ] [ 2.3990186 -1.5851006 1.3103034 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.759307509233645e-09 -1.7361016032267e-09 -3.737086581075725e-10 ] [ -2.462707125790639e-09 -3.964587650346221e-10 -1.640169675879679e-09 ] [ -7.177104622699846e-09 6.322678891287441e-09 1.183196860095103e-09 ] [ 3.036852725472491e-09 -1.650507400090067e-09 -1.268655999742602e-09 ] [ 3.843651513784346e-09 -2.539611122936052e-09 2.099337473634751e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.01824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.726622625516339e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1581033 1.9884862 1.5299587 ] [ 2.8814578 3.8666389 2.8609406 ] [ 5.2812384 2.3123371 2.4034124 ] [ 5.0316206 4.5888571 2.5228294 ] [ 4.4867098 3.2067758 4.3598938 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1581033e-10 1.9884862e-10 1.5299587e-10 ] [ 2.881457800000001e-10 3.8666389e-10 2.8609406e-10 ] [ 5.281238400000001e-10 2.3123371e-10 2.4034124e-10 ] [ 5.0316206e-10 4.5888571e-10 2.5228294e-10 ] [ 4.4867098e-10 3.2067758e-10 4.3598938e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-07 -2e-06 5.7e-06 ] [ 3.7e-06 1.29e-05 6e-07 ] [ 9.6e-06 -6.7e-06 1.7e-06 ] [ -8e-07 2.81e-05 -3.21e-05 ] [ -1.32e-05 -3.24e-05 2.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.12152363456e-15 -3.2043532416e-15 9.13240673856e-15 ] [ 5.928053496960001e-15 2.066807840832e-14 9.6130597248e-16 ] [ 1.538089555968e-14 -1.073458335936e-14 2.72370025536e-15 ] [ -1.28174129664e-15 4.502116304448e-14 -5.142986952768e-14 ] [ -2.114873139456e-14 -5.191052251392001e-14 3.84522388992e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.987077 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.04206508667294e-18 } }