{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5900508000000001 0.5857857000000001 2.9008119000000003 ] [ -2.1612020000000003 -0.9578478000000002 0.4189383000000001 ] [ -0.20807850000000006 -0.34643430000000003 -0.9458208000000002 ] [ 1.4936506000000003 0.4900292000000001 -0.06997310000000001 ] [ -2.8098402000000005 -0.6463068000000001 -0.10045830000000003 ] [ 2.5470220000000006 -0.8921512000000003 0.32373130000000006 ] [ -0.8272025000000002 0.6151432000000001 -1.9093498000000004 ] [ 2.5557014000000002 1.1517820000000003 -0.6178795000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.453655968443368e-10 9.385321533389627e-10 4.647613007518429e-09 ] [ -3.462627317226202e-09 -1.534641351444715e-09 6.712131498176968e-10 ] [ -3.333785079911329e-10 -5.550489361032134e-10 -1.515371973226353e-09 ] [ 2.393092070963893e-09 7.851133277493275e-10 -1.121092649049005e-10 ] [ -4.501860276623997e-09 -1.035497644824062e-09 -1.609519396253127e-10 ] [ 4.080779101063258e-09 -1.429383794858665e-09 5.186747202811911e-10 ] [ -1.325324506167312e-09 9.855680534840987e-10 -3.059115610489157e-09 ] [ 4.09468503282583e-09 1.845358192658266e-09 -9.899520893715939e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.642742 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.390161469200623e-18 } }