{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.36440200000000006 1.2494034000000003 -0.9696935000000002 ] [ 0.4967396000000001 0.25265950000000004 0.4998553000000001 ] [ 0.8467195000000002 1.0644602000000003 -2.1215623000000003 ] [ 0.7218465000000001 -0.15791690000000003 0.7384814000000001 ] [ -0.4792266000000001 -0.6060461000000001 -1.7222298000000005 ] [ -0.18630130000000003 -1.3130635000000002 2.2778510000000005 ] [ -1.2010489000000002 -0.39104480000000014 -1.1720639000000002 ] [ -0.5631307000000001 -0.09845190000000002 2.4693617000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.838363649727617e-10 2.001764917428031e-09 -1.553620255041725e-09 ] [ 7.958645737455439e-10 4.048051439230177e-10 8.008564754429705e-10 ] [ 1.356594187275466e-09 1.705453246212093e-09 -3.399117516630676e-09 ] [ 1.156525586106307e-09 -2.530107652092116e-10 1.183177633975653e-09 ] [ -7.678056545854735e-10 -9.709928925470192e-10 -2.759316321205061e-09 ] [ -2.984875872846471e-10 -2.103759641325821e-09 3.649519617865902e-09 ] [ -1.924292468017557e-09 -6.265228362454122e-10 -1.87785337866367e-09 ] [ -9.022348419947388e-10 -1.577373324533396e-10 3.956353584038944e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.400447 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.39003555828695e-18 } }