{ "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" [ [ 4.067134500000001 -0.5557754000000001 -0.14917270000000002 ] [ -1.6179561000000005 -0.4785175000000001 -1.0506940000000002 ] [ 0.4272603000000001 -0.32769020000000004 -0.6121855000000002 ] [ -2.2014802000000007 -0.5339423000000001 1.5504912000000004 ] [ 2.0775288000000005 1.0187603000000003 -3.278528300000001 ] [ -2.2859941000000004 1.2027848000000003 -0.9710201000000003 ] [ -0.9535348000000002 -1.8704639000000005 0.3837962000000001 ] [ 0.4870415000000001 1.5448442000000004 4.127313300000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.516267863235273e-09 -8.904503596320037e-10 -2.390010143706918e-10 ] [ -2.592251458257768e-09 -7.66669557460095e-10 -1.683397376283996e-09 ] [ 6.845464692958303e-10 -5.250175816307868e-10 -9.80829303773607e-10 ] [ -3.527160136653647e-09 -8.554698769642183e-10 2.484160771862621e-09 ] [ 3.32856809982206e-09 1.632233948306831e-09 -5.252781436167743e-09 ] [ -3.66256633248186e-09 1.927073702290363e-09 -1.555745715364344e-09 ] [ -1.527731176265863e-09 -2.996813555320513e-09 6.149093038579908e-10 ] [ 7.803265110883112e-10 2.475113280410423e-09 6.612684930457433e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -330.79149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.299863960040447e-17 } }