{ "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" [ [ 1.875325 2.956791 1.293332 ] [ 2.112421 5.47429 1.464888 ] [ 2.056962 4.106673 3.914817 ] [ 3.228113 2.011758 3.122182 ] [ 3.602336 4.040974 2.324239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.875325e-10 2.956791e-10 1.293332e-10 ] [ 2.112421e-10 5.47429e-10 1.464888e-10 ] [ 2.056962e-10 4.106673e-10 3.914817000000001e-10 ] [ 3.228113e-10 2.011758e-10 3.122182e-10 ] [ 3.602336e-10 4.040974e-10 2.324239e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.7677202 -12.9811591 -20.7774491 ] [ -4.3731932 13.8218066 -8.4800098 ] [ -8.5089414 7.562569 25.0900952 ] [ 5.1233023 -17.3179404 6.0642664 ] [ 20.5265525 8.9147238 -1.8969027 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.04561428053559e-08 -2.079810962090517e-08 -3.3289143187882e-08 ] [ -7.00662790328154e-09 2.214497539173914e-08 -1.358647344571488e-08 ] [ -1.363282697883722e-08 1.211657124498684e-08 4.01987639430863e-08 ] [ 8.208435166350868e-09 -2.77463992292878e-08 9.716025848382981e-09 ] [ 3.288716252112379e-08 1.428296205324934e-08 -3.039173157872396e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.5270763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.526405891243777e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6735063 2.7310759 0.9352331 ] [ 2.6302994 4.874969 0.7924371 ] [ 3.0981482 3.6130676 4.3521911 ] [ 1.9624764 1.9512573 3.1353333 ] [ 3.5107267 5.4201161 2.9042635 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6735063e-10 2.7310759e-10 9.352331e-11 ] [ 2.6302994e-10 4.874969000000001e-10 7.924371e-11 ] [ 3.0981482e-10 3.6130676e-10 4.3521911e-10 ] [ 1.9624764e-10 1.9512573e-10 3.1353333e-10 ] [ 3.5107267e-10 5.420116100000001e-10 2.9042635e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.85e-05 2.4e-05 -0.0001272 ] [ 3.65e-05 7.11e-05 1.01e-05 ] [ 4.27e-05 6.67e-05 0.0001024 ] [ 2.28e-05 -3.99e-05 7.54e-05 ] [ -6.35e-05 -0.0001219 -6.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.16837999008e-14 3.84522388992e-14 -2.0379686616576e-13 ] [ 5.84794466592e-14 1.1391475773888e-13 1.618198387008e-14 ] [ 6.841294170816001e-14 1.0686518060736e-13 1.6406288596992e-13 ] [ 3.652962695424e-14 -6.392684716992e-14 1.2080411720832e-13 ] [ -1.017382154208e-13 -1.9530533007552e-13 -9.725212088256e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }