{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4994658000000007 0.051905200000000006 1.3193019000000001 ] [ -1.0138334000000002 -0.6819965000000001 -0.35989270000000007 ] [ 1.0182138000000003 0.8822576000000002 -0.7166139000000001 ] [ -3.146062600000001 -1.1156291000000003 1.0651229000000002 ] [ 2.9674249000000006 1.4557690000000003 -1.3661613000000001 ] [ -1.9072759000000004 0.6162407000000001 -1.5721901000000005 ] [ -0.06277270000000001 -1.1278730000000001 -0.3949825000000001 ] [ -1.3551598000000002 -0.08067390000000002 2.0254157000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.606762336242118e-09 8.316129862309679e-11 2.113754677371805e-09 ] [ -1.624340184248776e-09 -1.092678856769781e-09 -5.766116746871719e-10 ] [ 1.63135835877635e-09 1.413532511888919e-09 -1.148142046179613e-09 ] [ -5.040547986821289e-09 -1.78743487623045e-09 1.706515022718319e-09 ] [ 4.754338837929787e-09 2.332399076301546e-09 -2.188831713135064e-09 ] [ -3.055792881571321e-09 9.87326450459804e-10 -2.518926242426124e-09 ] [ -1.005729531930918e-10 -1.807051766719482e-09 -6.328317323389051e-10 ] [ -2.171205366896113e-09 -1.292538375536526e-10 3.245073708676754e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.712747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.721812877935359e-18 } }