{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.5163832 1.7440848 -96.8809314 ] [ -22.1593968 -31.1491381 82.2938503 ] [ -6.823698 8.8138997 -93.8966518 ] [ 116.7363663 -31.2037213 67.0887148 ] [ -96.2696547 51.7948749 41.3950183 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.364475005681389e-08 2.794331891252644e-09 -1.552203632904086e-07 ] [ -3.550326748399034e-08 -4.990642082189053e-08 1.318492829862751e-07 ] [ -1.093276940299972e-08 1.412142403741613e-08 -1.504390202853583e-07 ] [ 1.87032276883005e-07 -4.999387274881898e-08 1.07487970372079e-07 ] [ -1.542409900528288e-07 8.298453764204076e-08 6.632213053784816e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 88.14368 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.412217433672766e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.1022779 -0.4503592 1.1231357 ] [ 0.0221779 0.2666431 2.8416581 ] [ 3.1660671 3.2088737 0.2854059 ] [ 3.7104209 2.7457402 2.3745286 ] [ 1.556761 3.0923608 2.7163807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.022779e-11 -4.503592e-11 1.1231357e-10 ] [ 2.21779e-12 2.666431e-11 2.8416581e-10 ] [ 3.1660671e-10 3.2088737e-10 2.854059e-11 ] [ 3.7104209e-10 2.7457402e-10 2.3745286e-10 ] [ 1.556761e-10 3.0923608e-10 2.7163807e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.67e-05 -1.5e-06 0.0001711 ] [ -2.16e-05 -2.24e-05 -0.0001761 ] [ -7.6e-06 5.14e-05 -2.94e-05 ] [ 4.69e-05 8.8e-06 4.79e-05 ] [ 9.1e-06 -3.64e-05 -1.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.277811577536e-14 -2.4032649312e-15 2.7413241981888e-13 ] [ -3.460701500928e-14 -3.588875630592e-14 -2.8214330292288e-13 ] [ -1.217654231808e-14 8.235187830912e-14 -4.710399265152e-14 ] [ 7.514208351552e-14 1.409915426304e-14 7.674426013632e-14 ] [ 1.457980724928e-14 -5.831922899712e-14 -2.16293843808e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.135306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.065813990505396e-18 } }