{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.15130040000000003 -1.1417728000000003 0.5390235000000001 ] [ -0.6519047000000001 0.3435462000000001 0.9886373000000003 ] [ 0.09426330000000002 0.21959510000000004 -1.1653814000000002 ] [ -0.5280329000000001 1.5948052000000004 -1.3950842000000003 ] [ -0.22455920000000004 -0.22593260000000007 0.6390836000000001 ] [ -1.5564099000000005 0.4122335000000001 -0.22235680000000005 ] [ 0.6032025000000001 -2.1605474000000005 -0.8923099000000002 ] [ 2.1121405000000006 0.9580728000000002 1.5083880000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.424099635976884e-10 -1.829321686425355e-09 8.63610849761789e-10 ] [ -1.044466469329638e-09 5.504216898046811e-10 1.583971568510836e-09 ] [ 1.510264554594567e-10 3.518301352622382e-10 -1.867146833395173e-09 ] [ -8.460019673932245e-10 2.555159606170269e-09 -2.235171289287472e-09 ] [ -3.597835002255515e-10 -3.619839295965582e-10 1.023924802656699e-09 ] [ -2.493643554161667e-09 6.604708760105569e-10 -3.562548664359015e-10 ] [ 9.664369431081122e-10 -3.461578532410227e-09 -1.429638060288386e-09 ] [ 3.384022128944823e-09 1.535001841184395e-09 2.416703988695271e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.235629 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.805587762378249e-18 } }