{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43385e-10 0.0 0.0 ] "source-value" [ 5.43385 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.31251e-12 5.415630000000001e-10 0.0 ] "source-value" [ 0.0231251 5.41563 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.581680000000001e-12 8.29392e-12 5.41654e-10 ] "source-value" [ -0.0358168 0.0829392 5.41654 ] } "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" [ [ 3.674213645686967e-09 -4.6941201893787e-09 -3.720231683024909e-10 ] [ 2.600868102985071e-09 4.165681163899705e-09 3.038604064736688e-09 ] [ 2.825921046378985e-09 -7.261088478114912e-10 -1.224623539890818e-09 ] [ -1.9839906904322e-09 9.990327458053016e-10 2.44339945555104e-10 ] [ -1.148611634687866e-10 9.798601390548365e-10 -7.174795245318624e-10 ] [ -6.140093401622113e-09 3.377144305147053e-09 -4.388994303701093e-09 ] [ 3.252440970696691e-10 -3.869254135967068e-09 1.968545707807688e-09 ] [ -1.187301636597592e-09 -2.322351807496358e-10 1.451630818326783e-09 ] ] "source-value" [ [ 2.2932638 -2.9298394 -0.2321986 ] [ 1.6233342 2.6000137 1.8965475 ] [ 1.7638012 -0.4532015 -0.7643499 ] [ -1.2383096 0.6235472 0.152505 ] [ -0.0716907 0.6115806 -0.4478155 ] [ -3.8323449 2.1078477 -2.7393948 ] [ 0.2030014 -2.4149985 1.2286696 ] [ -0.7410554 -0.1449498 0.9060367 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.33361e-11 7.45448e-12 1.00028e-11 ] [ 1.34132e-10 1.25343e-10 1.22744e-10 ] [ -6.90566e-12 2.71113e-10 2.67907e-10 ] [ 1.35774e-10 4.108290000000001e-10 3.9369e-10 ] [ 2.76453e-10 -1.5077e-12 2.69424e-10 ] [ 4.18319e-10 1.35081e-10 4.129380000000001e-10 ] [ 2.74151e-10 2.8117e-10 -1.50387e-11 ] [ 4.06649e-10 4.0541e-10 1.2862e-10 ] ] "source-value" [ [ -0.133361 0.0745448 0.100028 ] [ 1.34132 1.25343 1.22744 ] [ -0.0690566 2.71113 2.67907 ] [ 1.35774 4.10829 3.9369 ] [ 2.76453 -0.015077 2.69424 ] [ 4.18319 1.35081 4.12938 ] [ 2.74151 2.8117 -0.150387 ] [ 4.06649 4.0541 1.2862 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.57727006368413e-18 "source-value" -34.810582 } }