{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.007849 1.586086 2.268554 ] [ 2.12772 3.766083 1.838374 ] [ 4.424479 1.287894 2.441313 ] [ 3.363204 2.429439 0.4572432 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007849e-10 1.586086e-10 2.268554e-10 ] [ 2.12772e-10 3.766083e-10 1.838374e-10 ] [ 4.424479e-10 1.287894e-10 2.441313e-10 ] [ 3.363204e-10 2.429439e-10 4.572432e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.9257565 1.0825578 -2.6048113 ] [ 1.6945332 -2.0788408 -1.1668607 ] [ -5.8786153 2.7109493 -3.3562515 ] [ -1.7416745 -1.7146663 7.1279234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.494108524853636e-09 1.734448797824682e-09 -4.173367766455655e-09 ] [ 2.714941476209411e-09 -3.330670128125169e-09 -1.869516933270322e-09 ] [ -9.418579996337178e-09 4.343419588634125e-09 -5.377307686824931e-09 ] [ -2.79047016494353e-09 -2.747198258333639e-09 1.142019222633325e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.21305 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.277181642026144e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9628708 1.4187238 2.0542593 ] [ 2.6293475 3.5360092 2.0907807 ] [ 4.0937912 1.9051062 2.4428908 ] [ 3.2372425 2.2096628 0.4175534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9628708e-10 1.4187238e-10 2.0542593e-10 ] [ 2.6293475e-10 3.5360092e-10 2.0907807e-10 ] [ 4.0937912e-10 1.9051062e-10 2.4428908e-10 ] [ 3.2372425e-10 2.2096628e-10 4.175534e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.48e-05 -5.76e-05 7.96e-05 ] [ -2.26e-05 5.88e-05 2.37e-05 ] [ 3.44e-05 -2.21e-05 2.94e-05 ] [ 6.3e-05 2.08e-05 -0.0001328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.1984281123584e-13 -9.228537335808e-14 1.2753325901568e-13 ] [ -3.620919163008e-14 9.420798530304e-14 3.797158591296e-14 ] [ 5.511487575552001e-14 -3.540810331968e-14 4.710399265152e-14 ] [ 1.009371271104e-13 3.332527371264e-14 -2.1276905524224e-13 ] ] } "relaxed-potential-energy" { "source-value" -19.027265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.048503914076612e-18 } }