{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.4302149 -3.4198917 0.2174296 ] [ -5.6375711 1.2007032 -9.1398697 ] [ -4.012334 -1.7036644 4.649906 ] [ 6.0907248 0.9411398 0.122043 ] [ 1.9102475 -0.4557894 -1.151018 ] [ 0.5060381 -0.6417843 0.9853227 ] [ 7.5731096 4.0792867 4.3161865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.030233997949981e-08 -5.479270527407968e-09 3.483606217898957e-10 ] [ -9.032384614517739e-09 1.923738595559746e-09 -1.464368555049831e-08 ] [ -6.428467729640948e-09 -2.72957127136926e-09 7.449970682117645e-09 ] [ 9.758416878286756e-09 1.507872184464388e-09 1.955344413322944e-10 ] [ 3.060553884441649e-09 -7.302551206884595e-10 -1.844134129719974e-09 ] [ 8.107624130540525e-10 -1.028251801056493e-09 1.578660993883532e-09 ] [ 1.213345914787604e-08 6.535737780280384e-09 6.915293101312579e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.381852 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.945097352140572e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.155254 1.6045784 3.0528618 ] [ 1.867769 3.9334369 2.3819396 ] [ 1.4809087 3.2935953 4.7656743 ] [ 4.51786 1.8091841 2.6016738 ] [ 3.7807169 2.3208588 4.8426912 ] [ 4.2400268 4.0598145 1.9532613 ] [ 3.4932376 4.6497182 4.171748 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.155254e-10 1.6045784e-10 3.0528618e-10 ] [ 1.867769e-10 3.9334369e-10 2.3819396e-10 ] [ 1.4809087e-10 3.2935953e-10 4.7656743e-10 ] [ 4.51786e-10 1.8091841e-10 2.6016738e-10 ] [ 3.7807169e-10 2.3208588e-10 4.8426912e-10 ] [ 4.2400268e-10 4.0598145e-10 1.9532613e-10 ] [ 3.4932376e-10 4.6497182e-10 4.171748e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.56e-05 -3.7e-05 1.76e-05 ] [ -3.05e-05 -3.8e-06 -2.92e-05 ] [ 3.82e-05 2.02e-05 1.32e-05 ] [ 1.22e-05 7.8e-06 -2.31e-05 ] [ -3.01e-05 4.04e-05 -3.31e-05 ] [ 3.44e-05 -2.3e-06 2e-05 ] [ -8.5e-06 -2.54e-05 3.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.499395528448e-14 -5.92805349696e-14 2.819830852608e-14 ] [ -4.88663869344e-14 -6.08827115904e-15 -4.678355732736e-14 ] [ 6.120314691456e-14 3.236396774016e-14 2.114873139456e-14 ] [ 1.954655477376e-14 1.249697764224e-14 -3.701027994048e-14 ] [ -4.822551628608e-14 6.472793548032e-14 -5.303204614848e-14 ] [ 5.511487575552001e-14 -3.68500622784e-15 3.2043532416e-14 ] [ -1.36185012768e-14 -4.069528616832e-14 5.52750934176e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.957559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.517988767963663e-18 } }