{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8461218 -8.1109183 -5.3174736 ] [ -6.4634266 9.7610882 3.7835524 ] [ -1.4026999 -4.0422304 3.6570796 ] [ -0.476228 0.0611282 -2.9108216 ] [ 0.8671412 1.5507244 0.7630652 ] [ 1.9850119 -0.7351787 -2.456907 ] [ 1.6440795 1.5153865 2.4815052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.162166479478021e-09 -1.2995123780543e-08 -8.519531953831861e-09 ] [ -1.035555107409406e-08 1.563898743645312e-08 6.061919248794622e-09 ] [ -2.247373004294136e-09 -6.476367096124473e-09 5.859287483798065e-09 ] [ -7.630013740565519e-10 9.793817371847878e-11 -4.663650353262494e-09 ] [ 1.389313369018721e-09 2.484534399453669e-09 1.222565233658537e-09 ] [ 3.180339684391944e-09 -1.177886134954496e-09 -3.936398987311038e-09 ] [ 2.634105759338403e-09 2.427916841779041e-09 3.975809648589497e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.783655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.849255650811727e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5073918 1.3356475 1.9317457 ] [ 1.4729838 3.333273 3.1577514 ] [ 2.4490977 1.4672213 4.4151021 ] [ 2.6452885 3.5660958 1.0364292 ] [ 4.1010225 3.056742 5.1500109 ] [ 4.6049038 1.8628749 3.0886249 ] [ 3.8287298 4.2836284 3.0523817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5073918e-10 1.3356475e-10 1.9317457e-10 ] [ 1.4729838e-10 3.333273e-10 3.1577514e-10 ] [ 2.4490977e-10 1.4672213e-10 4.415102100000001e-10 ] [ 2.6452885e-10 3.5660958e-10 1.0364292e-10 ] [ 4.1010225e-10 3.056742e-10 5.1500109e-10 ] [ 4.6049038e-10 1.8628749e-10 3.0886249e-10 ] [ 3.8287298e-10 4.2836284e-10 3.0523817e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.83e-05 -3.76e-05 7.7e-06 ] [ -2.28e-05 2.33e-05 1.69e-05 ] [ -2e-07 1.17e-05 7.1e-06 ] [ 2.17e-05 5.1e-06 -1.1e-05 ] [ -1.2e-06 -1.74e-05 1.86e-05 ] [ -9.6e-06 1.23e-05 -3.63e-05 ] [ -6.2e-06 2.6e-06 -3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.93198324022e-14 -6.024184143839999e-14 1.23367600818e-14 ] [ -3.65296272552e-14 3.733071557219999e-14 2.70767851146e-14 ] [ -3.204353268e-16 1.87454666178e-14 1.13754541014e-14 ] [ 3.476723295779999e-14 8.1711008334e-15 -1.7623942974e-14 ] [ -1.9226119608e-15 -2.78778734316e-14 2.98004853924e-14 ] [ -1.53808956864e-14 1.97067725982e-14 -5.81590118142e-14 ] [ -9.9334951308e-15 4.165659248399999e-15 -4.806529901999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.361976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.422565880326878e-18 } }