{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1569364 -2.9721544 3.7256873 ] [ -1.9802831 1.0897172 -0.7906887 ] [ 0.4472823 0.3177957 0.748342 ] [ -2.4360056 0.953274 -3.1098241 ] [ 0.5557285 0.2024563 2.5063423 ] [ -3.5227797 3.2504906 -3.6704881 ] [ 1.9657629 -2.2658057 1.0202405 ] [ 1.8133583 -0.5757737 -0.4296113 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.057969693432517e-09 -4.761916293087852e-09 5.969209088471476e-09 ] [ -3.172763285385348e-09 1.745919421123638e-09 -1.266822949470745e-09 ] [ 7.166252439576519e-10 5.091648407307706e-10 1.198976056762713e-09 ] [ -3.902911220457876e-09 1.527313316016499e-09 -4.982487467820401e-09 ] [ 8.903752102122527e-10 3.243707505936711e-10 4.0156030367821e-09 ] [ -5.644115275568838e-09 5.207860045450164e-09 -5.880770220744613e-09 ] [ 3.149499360416009e-09 -3.630220919815379e-09 1.634605476693303e-09 ] [ 2.905320273393632e-09 -9.224911610115131e-10 -6.88313180891495e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.464132 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.681980316736515e-18 } }