{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5463361000000004 1.6299433000000005 -0.05981920000000002 ] [ -0.6344736000000001 -0.4677363000000001 0.2657591000000001 ] [ 0.011079400000000001 0.3790937000000001 -0.7849742000000002 ] [ 0.22807160000000007 -0.4893754000000001 -0.4156933000000001 ] [ 0.08785630000000001 0.4611431000000001 -0.31232600000000005 ] [ 0.20765340000000004 -0.07560120000000001 -0.6163079000000001 ] [ -0.30469700000000005 0.5904659000000001 0.2525858000000001 ] [ -1.1418262000000001 -2.0279331000000003 1.6707757000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.477503567730688e-09 2.611457070004853e-09 -9.584092450457281e-11 ] [ -1.016538776809862e-09 -7.493961707336143e-10 4.257930202928695e-10 ] [ 1.77511557987396e-11 6.073750682366059e-10 -1.257667321532843e-09 ] [ 3.654109883989945e-10 -7.840658311344037e-10 -6.660140921703523e-10 ] [ 1.407613110096942e-10 7.388326997503255e-10 -5.00401419390684e-10 ] [ 3.326974254506557e-10 -1.211264761423608e-10 -9.874341167296088e-10 ] [ -4.88178413849898e-10 9.460306681537806e-10 4.046870668401973e-10 ] [ -1.829407257729011e-09 -3.249107028135186e-09 2.676877787194994e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.419511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.835048954590597e-18 } }