{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.006475200000000002 0.10444580000000003 -0.19856350000000006 ] [ 0.4859217000000001 -0.44205670000000014 -0.6933703000000001 ] [ -0.4236502000000001 0.36506540000000004 0.6044055000000002 ] [ 0.09994660000000002 -0.4683982000000001 0.19614590000000007 ] [ -0.13761290000000004 0.0020014000000000004 0.26401940000000007 ] [ -0.12501550000000003 0.18828520000000007 0.6047529000000001 ] [ 0.04811470000000002 0.23176100000000005 -0.6248656000000001 ] [ 0.04582050000000001 0.018896200000000002 -0.15252430000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.037441405500416e-11 1.673406189007527e-10 -3.181337974442209e-10 ] [ 7.785323872793916e-10 -7.082529098079995e-10 -1.110901684217082e-09 ] [ -6.787624458372444e-10 5.848992489430004e-10 9.683643615829347e-10 ] [ 1.601321058484493e-10 -7.504566452648027e-10 3.142603752457748e-10 ] [ -2.204801711004884e-10 3.206596288869121e-12 4.230057101176436e-10 ] [ -2.002969113376224e-10 3.016661454826522e-10 9.689209577410005e-10 ] [ 7.708824745680579e-11 3.713220558132289e-10 -1.001145055462165e-09 ] [ 7.34125338533664e-11 3.027504986196096e-11 -2.443708675638855e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 31.385709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.028544918703215e-18 } }