{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4314663 0.9036294 0.7794334 ] [ 1.004832 0.4139501 2.5602 ] [ 0.3021018 2.478458 1.913452 ] [ 2.709186 0.4632097 1.441964 ] [ 2.312911 2.26354 0.6044428 ] [ 2.800336 2.901369 2.552849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.314663000000001e-11 9.036294e-11 7.794334000000001e-11 ] [ 1.004832e-10 4.139501e-11 2.5602e-10 ] [ 3.021018e-11 2.478458e-10 1.913452e-10 ] [ 2.709186e-10 4.632097e-11 1.441964e-10 ] [ 2.312911e-10 2.26354e-10 6.044428e-11 ] [ 2.800336e-10 2.901369e-10 2.552849e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -30.0178388 -13.1301036 -27.8587454 ] [ -15.2913078 -36.4481404 38.9261415 ] [ -33.7445591 33.1861438 12.787295 ] [ 37.9296567 -32.0919186 -3.2042015 ] [ 26.1848167 27.6350766 -35.0733361 ] [ 14.9392323 20.848942 14.4228465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.809387953230313e-08 -2.103674501660192e-08 -4.463463056469954e-08 ] [ -2.449937585861668e-08 -5.839635842051596e-08 6.236655384925265e-08 ] [ -5.406474366922388e-08 5.317006373086688e-08 2.048750509227274e-08 ] [ 6.077000919971008e-08 -5.141692169753667e-08 -5.133696731632292e-09 ] [ 4.195270113667341e-08 4.427627364253715e-08 -5.619367911288065e-08 ] [ 2.393528872376021e-08 3.34036874408152e-08 2.310794746768711e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 35.56823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.698658654923719e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2017042 1.277168 0.929568 ] [ 1.0113372 -0.6656141 2.1222858 ] [ 0.0373874 3.1489817 2.4533125 ] [ 3.3099084 -0.0460098 1.7452824 ] [ 2.6645451 1.9410442 0.525611 ] [ 2.3359508 3.7685862 2.0762815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.017042e-11 1.277168e-10 9.29568e-11 ] [ 1.0113372e-10 -6.656141e-11 2.1222858e-10 ] [ 3.73874e-12 3.1489817e-10 2.4533125e-10 ] [ 3.3099084e-10 -4.60098e-12 1.7452824e-10 ] [ 2.6645451e-10 1.9410442e-10 5.256110000000001e-11 ] [ 2.3359508e-10 3.7685862e-10 2.0762815e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.48e-05 -6e-06 2.22e-05 ] [ 1.59e-05 2.54e-05 -1.26e-05 ] [ -2.06e-05 1.8e-06 -1.01e-05 ] [ -1.67e-05 -5.9e-06 -2e-06 ] [ -9.7e-06 -2.2e-05 -1.67e-05 ] [ 6.3e-06 6.7e-06 1.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.973398019584e-14 -9.6130597248e-15 3.556832098176e-14 ] [ 2.547460827072e-14 4.069528616832e-14 -2.018742542208e-14 ] [ -3.300483838848e-14 2.88391791744e-15 -1.618198387008e-14 ] [ -2.675634956736e-14 -9.45284206272e-15 -3.2043532416e-15 ] [ -1.554111322176e-14 -3.52478856576e-14 -2.675634956736e-14 ] [ 1.009371271104e-14 1.073458335936e-14 3.076179111936e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.987622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.241064094898774e-18 } }