{ "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" [ [ 2.8378296 -2.9585716 3.9018846 ] [ -1.968998 1.2543243 -0.7784066 ] [ 0.4077564 0.4239348 1.0506634 ] [ -2.2374371 1.0018406 -3.3123498 ] [ 0.3562298 0.5337256 2.0347471 ] [ -3.2092003 2.8756104 -3.4842377 ] [ 1.7943493 -2.1637891 0.7567295 ] [ 2.0194703 -0.9670751 -0.1690306 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.546704238934216e-09 -4.740154248482849e-09 6.251508283179559e-09 ] [ -3.154682562001959e-09 2.009649068361326e-09 -1.247144855996417e-09 ] [ 6.532977710615731e-10 6.792184253035239e-10 1.683348335810239e-09 ] [ -3.584769412130552e-09 1.605125587088244e-09 -5.306969409471556e-09 ] [ 5.707430571922598e-10 8.551226782424525e-10 3.2600242328606e-09 ] [ -5.141705692124346e-09 4.607235753409336e-09 -5.582364184249964e-09 ] [ 2.874864498008845e-09 -3.466772308361873e-09 1.212414313169674e-09 ] [ 3.235548101059962e-09 -1.549425115777822e-09 -2.708168755197965e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.386722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.669577867514902e-18 } }