{ "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" [ [ 0.19690760000000004 -1.2601694000000003 0.4744583000000001 ] [ -0.9484624000000003 0.6239945000000001 1.3923889000000003 ] [ 0.03580760000000001 0.16101500000000002 -1.1373986000000003 ] [ -0.5566514000000001 2.0693674000000004 -1.7162985000000004 ] [ -0.33517930000000007 -0.31067910000000004 0.29083470000000006 ] [ -2.0947912000000004 0.2978315000000001 -0.15912740000000003 ] [ 0.9002987000000002 -2.5269629000000005 -1.3822190000000003 ] [ 2.8020703000000005 0.9456031000000003 2.2373617000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.154807557770184e-10 -2.0190139675618e-09 7.601660020673623e-10 ] [ -1.519604295507562e-09 9.99749407644513e-10 2.230852961020963e-09 ] [ 5.737010003961841e-11 2.5797447072351e-10 -1.822313460464313e-09 ] [ -8.918538663633878e-10 3.315492095441332e-09 -2.749813353669249e-09 ] [ -5.370164426604762e-10 -4.977627946921494e-10 4.659685606963998e-10 ] [ -3.356225513748821e-09 4.771786701691711e-10 -2.549502021091716e-10 ] [ 1.442437540760576e-09 -4.048640913364879e-09 -2.214558984870846e-09 ] [ 4.489411561485371e-09 1.515023191857966e-09 3.584648637546518e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.992956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76670730917901e-18 } }