{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.398941 0.3285506 -0.5669008 ] [ 1.3495384 2.6084004 0.6074168 ] [ 1.6758022 -0.9862591 0.2969928 ] [ -0.6650001 -0.0311005 -2.7486393 ] [ 0.003738 -0.7087655 -0.9093507 ] [ 1.8722583 -0.2103885 -1.2580504 ] [ -0.9018733 -1.4574419 3.241566 ] [ -0.9355224 0.4570045 1.3369656 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.843527184878573e-09 5.263960900698125e-10 -9.082752080728167e-10 ] [ 2.162198873351839e-09 4.179118138565368e-09 9.731889960411495e-10 ] [ 2.684931105925206e-09 -1.580161272071249e-09 4.758349207059303e-10 ] [ -1.065447613049662e-09 -4.98284939951904e-11 -4.403805625472078e-09 ] [ 5.9889362085504e-12 -1.135567513729622e-09 -1.456940431648115e-09 ] [ 2.999688476358752e-09 -3.370795359851808e-10 -2.015618938668088e-09 ] [ -1.444960316183745e-09 -2.335079338354332e-09 5.193561259980173e-09 ] [ -1.498872117514706e-09 7.322019255003936e-10 2.142055027133845e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.520125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.37051606012936e-18 } }