{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3126518 0.5217928 0.1846885 ] [ 0.8333114 2.588069 2.680495 ] [ 2.642381 0.0430457 2.992394 ] [ 2.45603 2.243401 1.184533 ] [ 2.245972 1.834771 2.762862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.126518e-11 5.217928e-11 1.846885e-11 ] [ 8.333114000000001e-11 2.588069e-10 2.680495e-10 ] [ 2.642381e-10 4.30457e-12 2.992394e-10 ] [ 2.45603e-10 2.243401e-10 1.184533e-10 ] [ 2.245972e-10 1.834771e-10 2.762862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4829207 2.7844654 2.3166274 ] [ -29.5030347 10.9979425 -1.0991287 ] [ 0.1715203 -11.1204253 0.5166092 ] [ 2.8441244 3.323555 -27.1335552 ] [ 24.0044692 -5.9855376 25.3994473 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.978077496840371e-09 4.46120536530652e-09 3.711646259384689e-09 ] [ -4.726907243899114e-08 1.76206463504027e-08 -1.760998306390297e-09 ] [ 2.748058146526022e-10 -1.781688542901283e-08 8.276991823301914e-10 ] [ 4.556789620326828e-09 5.324922118942944e-09 -4.347274778062627e-08 ] [ 3.845939934695368e-08 -9.589888405639341e-09 4.069440064530168e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.7697779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.244203258588522e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5901097 0.6277221 0.5657539 ] [ 0.5714942 2.1579229 2.4380957 ] [ 1.995236 0.1625922 2.4780314 ] [ 2.5274794 2.0181336 0.9668558 ] [ 2.8060269 2.2647086 3.3562357 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.901097e-11 6.277221e-11 5.657539000000001e-11 ] [ 5.714942e-11 2.1579229e-10 2.4380957e-10 ] [ 1.995236e-10 1.625922e-11 2.4780314e-10 ] [ 2.5274794e-10 2.0181336e-10 9.668558000000001e-11 ] [ 2.8060269e-10 2.2647086e-10 3.3562357e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.05e-05 3e-07 8.7e-06 ] [ -7.3e-06 -1.25e-05 2.5e-06 ] [ -2.16e-05 -7e-07 -1.14e-05 ] [ 3.5e-06 -5e-07 -1.28e-05 ] [ 1.48e-05 1.35e-05 1.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.68228545184e-14 4.8065298624e-16 1.393893660096e-14 ] [ -1.169588933184e-14 -2.002720776e-14 4.005441552e-15 ] [ -3.460701500928e-14 -1.12152363456e-15 -1.826481347712e-14 ] [ 5.6076181728e-15 -8.010883104e-16 -2.050786074624e-14 ] [ 2.371221398784e-14 2.16293843808e-14 2.066807840832e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }