{ "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" [ [ 0.6136317 0.272403 0.5113261 ] [ 1.058649 2.716721 0.3297698 ] [ 0.0311528 1.744123 2.343307 ] [ 2.175185 1.227279 1.696033 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.136317e-11 2.72403e-11 5.113261e-11 ] [ 1.058649e-10 2.716721e-10 3.297698e-11 ] [ 3.11528e-12 1.744123e-10 2.343307e-10 ] [ 2.175185e-10 1.227279e-10 1.696033e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4824643 -1.7124832 -2.2545335 ] [ -0.7037707 0.8617282 -0.8945547 ] [ -1.6272387 0.5740547 0.7789609 ] [ 4.8134738 0.2767003 2.3701272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.977346296199166e-09 -2.743700569157549e-09 -3.612160894270239e-09 ] [ -1.127564971233824e-09 1.380640786898879e-09 -1.43323463817488e-09 ] [ -2.607123823080536e-09 9.197370269778798e-10 1.24803295277961e-09 ] [ 7.712035250731188e-09 4.433227552807901e-10 3.797362419447845e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8778694 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.58260915463836e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5247629 0.2820608 0.4413565 ] [ 1.0154888 2.6858606 0.307996 ] [ -0.0010243 1.7504146 2.3398652 ] [ 2.3393912 1.24219 1.7912182 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.247629000000001e-11 2.820608e-11 4.413565e-11 ] [ 1.0154888e-10 2.6858606e-10 3.07996e-11 ] [ -1.0243e-13 1.7504146e-10 2.3398652e-10 ] [ 2.3393912e-10 1.24219e-10 1.7912182e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -0.0 1e-07 ] [ 1e-07 2e-07 -2e-07 ] [ -3e-07 -0.0 3e-07 ] [ 1e-07 -1e-07 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-16 0.0 1.602176634e-16 ] [ 1.602176634e-16 3.204353268e-16 -3.204353268e-16 ] [ -4.806529901999999e-16 0.0 4.806529901999999e-16 ] [ 1.602176634e-16 -1.602176634e-16 -1.602176634e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.513855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.684505281426407e-18 } }