{ "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" [ [ 1.3397314000000002 1.4552094000000002 0.05170250000000001 ] [ -0.6764736000000001 -0.5101268000000001 0.29993470000000005 ] [ 0.042076600000000006 0.4079963000000001 -0.8198237000000003 ] [ 0.28789060000000005 -0.4119549000000001 -0.4785417000000001 ] [ 0.12792140000000002 0.4692716000000001 -0.28135830000000006 ] [ 0.24574660000000006 0.0019468000000000005 -0.6915842000000001 ] [ -0.29496350000000005 0.5119892000000001 0.26283740000000005 ] [ -1.0719294000000001 -1.9243316000000004 1.6568333000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.146486327231654e-09 2.331502479048396e-09 8.283653673691202e-11 ] [ -1.083830186508411e-09 -8.173132326035175e-10 4.805483641066618e-10 ] [ 6.741414480275329e-11 6.536821332329032e-10 -1.313502365317753e-09 ] [ 4.612515886680846e-10 -6.600245096040022e-10 -7.667083238178876e-10 ] [ 2.049526763800051e-10 7.518559863254095e-10 -4.507856903280327e-10 ] [ 3.937294571610894e-10 3.119117445373441e-12 -1.108040036554671e-09 ] [ -4.725836236893409e-10 8.202971263420956e-10 4.21111937351858e-10 ] [ -1.717420223828172e-09 -3.083119100186658e-09 2.654539577822913e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.542974 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.772000252690226e-18 } }