{ "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" [ [ 3.282516000000001 0.21460070000000006 1.0320471000000002 ] [ -1.2096245000000003 -0.7346645000000002 -0.39415080000000013 ] [ 1.0720998000000002 0.6966193000000002 -0.6628610000000001 ] [ -2.7482632000000002 -1.1149304000000002 0.8751165000000002 ] [ 2.5282172000000003 1.4108406000000002 -1.4445322000000003 ] [ -1.8860553000000004 0.4547526000000001 -1.3146401000000003 ] [ 0.020912600000000003 -0.8838121000000002 -0.03464140000000001 ] [ -1.0598026000000003 -0.04340610000000002 1.9436619000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.259170435931145e-09 3.438282271800439e-10 1.653521748807462e-09 ] [ -1.938032109813933e-09 -1.177062295729293e-09 -6.314992020324074e-10 ] [ 1.717693248876073e-09 1.116107165253436e-09 -1.062020405789874e-09 ] [ -4.403203083122069e-09 -1.786315435416274e-09 1.402091208327861e-09 ] [ 4.050650523516905e-09 2.26041584361854e-09 -2.314395737900615e-09 ] [ -3.02179373209186e-09 7.285939899707485e-10 -2.106285650339424e-09 ] [ 3.35056790761884e-11 -1.416023095466471e-09 -5.550164164904761e-11 ] [ -1.697990962372448e-09 -6.954423919306742e-11 3.114089680576045e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.59290207419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.10043496995176e-18 } }