{ "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" [ [ -0.2506951 0.1162134 0.1228241 ] [ 0.1094133 0.0619539 -0.3620598 ] [ 0.0881105 0.0268025 -0.0859933 ] [ 0.2592551 0.0435834 0.2077418 ] [ -0.2004542 -0.118795 0.0401765 ] [ 0.1391008 -0.0970281 0.411965 ] [ -0.0438134 0.0820395 0.2435367 ] [ -0.1009169 -0.1147695 -0.578191 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.016578281691181e-10 1.861943925036787e-10 1.967859014908013e-10 ] [ 1.752994312645766e-10 9.926109014738113e-11 -5.800837468915238e-10 ] [ 1.411685831469984e-10 4.2942338878992e-11 -1.377764548054406e-10 ] [ 4.153724600431661e-10 6.982830453497471e-11 3.328390551229095e-10 ] [ -3.211630327811673e-10 -1.90330571667936e-10 6.43698490055712e-11 ] [ 2.228640496945766e-10 -1.554561533806445e-10 6.60040691587872e-10 ] [ -7.019680515775872e-11 1.314417688821216e-10 3.901888070467833e-10 ] [ -1.616866978236115e-10 -1.838810096809056e-10 -9.263641025569728e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 150.02081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.403598344154789e-17 } }