{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9812162999999994 -2.9466060999999995 7.334606399999999 ] [ 0.04758079999999999 -0.7364583999999998 0.22530889999999998 ] [ -0.6918896999999999 -4.198457299999999 -0.5622673999999999 ] [ 3.8329557999999997 0.5843854999999999 1.0290486999999997 ] [ -1.3781244999999998 2.4313753999999994 1.2655796999999998 ] [ -5.041635399999999 4.661553799999999 -5.075898999999999 ] [ -0.2974203999999999 -0.46117899999999995 -0.45340289999999994 ] [ -0.45268289999999994 0.6653860999999999 -3.7629743999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.378611678207878e-09 -4.720983404126666e-09 1.175133489685005e-08 ] [ 7.623284535896062e-11 -1.179936430671774e-09 3.609846520381651e-10 ] [ -1.108529501512326e-09 -6.726670129487091e-09 -9.008516829180017e-10 ] [ 6.141072171319761e-09 9.362887856345182e-10 1.648717768804632e-09 ] [ -2.207998854451689e-09 3.895492822268247e-09 2.027682207099077e-09 ] [ -8.077590368477655e-09 7.468632514961397e-09 -8.132486707342097e-09 ] [ -4.765200114289843e-10 -7.388902118039232e-10 -7.264315261829203e-10 ] [ -7.252779590159442e-10 1.066066053225291e-09 -6.028949608348907e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.143969 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.669378576911996e-18 } }