{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4627536999999999 0.8316530999999998 -1.5590036999999997 ] [ 0.0313226 -0.2689077999999999 -1.8115789999999996 ] [ -0.9567390999999997 1.5521332999999995 -0.036904599999999996 ] [ 0.5153089999999999 -0.4220814999999999 0.34208369999999994 ] [ -0.7606378999999998 -0.3844074999999999 0.12336779999999997 ] [ 1.4350021999999998 0.07024699999999999 0.4572218999999999 ] [ -2.2226358999999998 -0.8669789999999998 -0.3175492999999999 ] [ 1.4956253999999998 -0.5116576999999999 2.8023629999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.414131593286969e-10 1.332455153435844e-09 -2.497799279880696e-09 ] [ 5.018433742267008e-11 -4.308377903107622e-10 -2.902469520532243e-09 ] [ -1.532865018225233e-09 2.486791685625152e-09 -5.912768731997567e-11 ] [ 8.256160322878271e-10 -6.76249111372195e-10 5.480785064967609e-10 ] [ -1.218676260274408e-09 -6.158887093601759e-10 1.976570049195302e-10 ] [ 2.299126975636565e-09 1.125481010813376e-10 7.325502386977555e-10 ] [ -3.561055275530766e-09 -1.389053484524563e-09 -5.087700644114053e-10 ] [ 2.396256049354648e-09 -8.197660047923e-10 4.48988048159495e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.83729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490138131764296e-17 } }