{ "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" [ [ 2.1989811000000006 2.3795718000000003 -0.20274910000000004 ] [ -0.9705997000000002 -0.7241861000000002 0.5221096000000001 ] [ 0.14343960000000003 0.5758375000000001 -1.1859081000000002 ] [ 0.45425690000000013 -0.6520396000000002 -0.7451010000000001 ] [ 0.20795110000000006 0.7154157000000001 -0.4387039000000001 ] [ 0.3861155000000001 -0.0013526000000000002 -1.0697550000000002 ] [ -0.4858099000000001 0.7937268000000002 0.3970958000000001 ] [ -1.9343346000000003 -3.086973400000001 2.7230118000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.523156137027618e-09 3.812494336885321e-09 -3.248398705845294e-10 ] [ -1.55507216030741e-09 -1.160274048087588e-09 8.365118015070865e-10 ] [ 2.298155755103064e-10 9.22593387480975e-10 -1.900034247891336e-09 ] [ 7.277997910132747e-10 -1.044682611562707e-09 -1.193783412170034e-09 ] [ 3.331743934345975e-10 1.146222318136754e-09 -7.028811378246726e-10 ] [ 6.186252321252272e-10 -2.1671041151484e-12 -1.71393646510467e-09 ] [ -7.783532703458767e-10 1.271690532739591e-09 6.362176122195373e-10 ] [ -3.099145698457737e-09 -4.945876651259537e-09 4.362745880066281e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.33599 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.821667415125766e-18 } }