{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6298104 0.5208629 0.1707339 ] [ 0.4245013 0.0003526 -1.1922758 ] [ -0.0343071 0.0748127 -0.5485913 ] [ 1.0716351 -0.3778429 0.7043652 ] [ -0.926977 -0.0990583 -0.1343857 ] [ 0.2035618 -0.5892085 1.9341144 ] [ -0.175857 0.7743843 0.735841 ] [ 0.0672533 -0.3043028 -1.6698018 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.009067498416696e-09 8.345143610220884e-10 2.735458629580051e-10 ] [ 6.801260583592072e-10 5.649274764940801e-13 -1.910236412305617e-09 ] [ -5.496603354744768e-11 1.198631588789242e-10 -8.789401552342791e-10 ] [ 1.71694870324867e-09 -6.053710607152723e-10 1.128517455945116e-09 ] [ -1.485180877419322e-09 -1.587088923561927e-10 -2.153096267098426e-10 ] [ 3.261419568479654e-10 -9.440160834766367e-10 3.098792873632619e-09 ] [ -2.817539740040256e-10 1.240700420974574e-09 1.178947246826093e-09 ] [ 1.077516649316486e-10 -4.875468318039782e-10 -2.675317405329757e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.578766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.020782032371394e-18 } }