{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.27377700000000005 -1.5164266000000004 1.2517810000000003 ] [ -0.8770565000000002 -0.20113720000000004 1.5967650000000004 ] [ -0.22835800000000006 1.0801464000000003 -2.6430966000000002 ] [ -0.6444076000000001 1.8239372000000005 -2.8563591000000006 ] [ -0.25704130000000003 -0.25725120000000007 2.5462305000000005 ] [ -1.9737276000000004 1.1857737000000002 -0.6792558000000001 ] [ 1.2800002000000001 -3.2321009000000007 -1.0448050000000002 ] [ 2.9743677000000006 1.1170586000000002 1.8287399000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.386391123266181e-10 -2.429583265696065e-09 2.005574269085154e-09 ] [ -1.405199430997821e-09 -3.222573220681849e-10 2.55829957298901e-09 ] [ -3.658698517869721e-10 1.730585323379218e-09 -4.234707613924844e-09 ] [ -1.032454799492018e-09 2.922269563723385e-09 -4.57639180833327e-09 ] [ -4.118255648329842e-10 -4.121618617084609e-10 4.079511011878138e-09 ] [ -3.162260242600898e-09 1.899818915351726e-09 -1.088287771268977e-09 ] [ 2.050786411955327e-09 -5.178396540710371e-09 -1.67396215808637e-09 ] [ 4.765462429864323e-09 1.789725187728753e-09 2.929964337443497e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -323.14311 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.177323402800917e-17 } }