{ "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" [ [ 1.235296 0.1194615 1.060663 ] [ 0.5951279 1.958954 0.23753 ] [ 0.7849876 2.237774 2.150251 ] [ 2.634784 1.158802 0.6457174 ] [ 2.006718 1.111823 2.877883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.235296e-10 1.194615e-11 1.060663e-10 ] [ 5.951279e-11 1.958954e-10 2.3753e-11 ] [ 7.849876000000001e-11 2.237774e-10 2.150251e-10 ] [ 2.634784e-10 1.158802e-10 6.457174e-11 ] [ 2.006718e-10 1.111823e-10 2.877883e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.4234754 -47.6161435 -9.8624201 ] [ -24.8793443 19.1087647 -35.666252 ] [ -30.2709442 40.2758557 29.0021061 ] [ 46.9673799 -1.8736323 -27.1753032 ] [ 20.606384 -9.8948447 43.7018692 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.990460183496393e-08 -7.628947188835788e-08 -1.5801338908728e-08 ] [ -3.986110377829374e-08 3.061561605470832e-08 -5.714363510596125e-08 ] [ -4.849939908678136e-08 6.452903438525442e-08 4.646649634738106e-08 ] [ 7.525003801601184e-08 -3.001889867035732e-09 -4.353963545019142e-08 ] [ 3.301506668402718e-08 -1.585328884478679e-08 7.001811311749959e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 40.850109 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.544908959693167e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6175889 0.1931232 0.9243696 ] [ 0.0801859 1.9894734 0.3302359 ] [ 0.164749 2.8198534 2.6207947 ] [ 3.6929699 0.56137 -0.1185206 ] [ 1.7014198 1.0229945 3.2151647 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6175889e-10 1.931232e-11 9.243696000000001e-11 ] [ 8.01859e-12 1.9894734e-10 3.302359e-11 ] [ 1.64749e-11 2.8198534e-10 2.6207947e-10 ] [ 3.6929699e-10 5.613700000000001e-11 -1.185206e-11 ] [ 1.7014198e-10 1.0229945e-10 3.2151647e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.76e-05 -9.3e-06 4.6e-06 ] [ 2.86e-05 1.31e-05 -1.57e-05 ] [ -2.12e-05 -7.8e-06 2.7e-06 ] [ -3.01e-05 -1.4e-06 -1.53e-05 ] [ 5.2e-06 5.4e-06 2.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.819830852608e-14 -1.490024257344e-14 7.370012455680001e-15 ] [ 4.582225135488e-14 2.098851373248e-14 -2.515417294656e-14 ] [ -3.396614436096001e-14 -1.249697764224e-14 4.32587687616e-15 ] [ -4.822551628608e-14 -2.24304726912e-15 -2.451330229824e-14 ] [ 8.33131842816e-15 8.65175375232e-15 3.813180357504e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.7587726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.563527730742363e-18 } }