{ "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" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2061046000000006 0.45623570000000013 -1.9500308000000004 ] [ 0.4731023000000001 0.3804903000000001 -0.4441392000000001 ] [ 0.6076631000000001 0.3826999000000001 -0.7825993000000002 ] [ 0.35362270000000007 0.5696428000000001 1.8151233000000004 ] [ 0.8619944000000003 -0.10948230000000003 0.5449554000000001 ] [ -0.3785661000000001 -1.7994599000000004 -1.4824139000000003 ] [ -1.8109892000000005 0.9469930000000002 0.06527510000000002 ] [ -2.3129316000000006 -0.8271193000000002 2.2338295000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.534569242279917e-09 7.30970178136634e-10 -3.124293783340327e-09 ] [ 7.579934505516583e-10 6.096126681236504e-10 -7.115894484834529e-10 ] [ 9.735836201640054e-10 6.131528376141367e-10 -1.253862312244756e-09 ] [ 5.665660271919918e-10 9.126683838863353e-10 2.908148139088972e-09 ] [ 1.38106728631885e-09 -1.754099828965782e-10 8.731148084521236e-10 ] [ -6.065297598445076e-10 -2.883052605599977e-09 -2.375088912496813e-09 ] [ -2.901524580666353e-09 1.517250057161562e-09 1.045822400020134e-10 ] [ -3.705724965560235e-09 -1.325191215990436e-09 3.578989429239903e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.67786807419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.114048023940205e-18 } }