{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.401030000000001e-10 0.0 0.0 ] "source-value" [ 5.40103 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.34454e-11 5.44836e-10 0.0 ] "source-value" [ -0.134454 5.44836 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.22267e-11 -1.77468e-11 5.335340000000001e-10 ] "source-value" [ -0.122267 -0.177468 5.33534 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.496270322731468e-09 5.378658321716265e-09 8.801422843746315e-09 ] [ -5.560725507244764e-09 -4.834539594737812e-09 2.69796833752398e-09 ] [ 1.396369984281109e-09 -5.518902288735401e-09 1.186381025911281e-09 ] [ 5.386947663116962e-09 -3.20071373718819e-09 -2.639459410814957e-09 ] [ -5.434407338978298e-09 1.707377300116011e-09 9.51096262181614e-10 ] [ -1.635383493660363e-09 6.414694458102579e-09 -2.342152147046853e-09 ] [ 4.870305624314578e-09 3.612801254505731e-09 -4.066794983081591e-09 ] [ -1.519377414778353e-09 -3.559375873996844e-09 -4.588462248855113e-09 ] ] "source-value" [ [ 1.5580494000000005 3.357094500000001 5.493416100000001 ] [ -3.470731900000001 -3.017482300000001 1.6839394000000005 ] [ 0.8715456000000003 -3.444627900000001 0.7404808000000002 ] [ 3.362268300000001 -1.9977284000000004 -1.6474210000000005 ] [ -3.391890300000001 1.0656611000000002 0.5936276000000001 ] [ -1.0207261000000003 4.003737400000001 -1.4618564000000003 ] [ 3.039805700000001 2.2549332000000004 -2.5382938000000004 ] [ -0.9483208000000002 -2.2215877000000006 -2.8638929000000006 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.2652e-11 -1.01854e-11 -4.28595e-12 ] [ 1.30252e-10 1.39257e-10 1.42794e-10 ] [ -1.34723e-11 2.79807e-10 2.80389e-10 ] [ 1.19895e-10 4.084240000000001e-10 4.16214e-10 ] [ 2.70678e-10 2.24968e-12 2.81634e-10 ] [ 3.95472e-10 1.30925e-10 4.227070000000001e-10 ] [ 2.581e-10 2.82078e-10 2.50931e-11 ] [ 3.97059e-10 4.21723e-10 1.58759e-10 ] ] "source-value" [ [ -0.12652 -0.101854 -0.0428595 ] [ 1.30252 1.39257 1.42794 ] [ -0.134723 2.79807 2.80389 ] [ 1.19895 4.08424 4.16214 ] [ 2.70678 0.0224968 2.81634 ] [ 3.95472 1.30925 4.22707 ] [ 2.581 2.82078 0.250931 ] [ 3.97059 4.21723 1.58759 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.643638467806488e-18 "source-value" -35.224821 } }