{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0523671 -0.2658906 0.5113728 ] [ 1.0048087 -0.3146229 -0.5466396 ] [ -1.2010361 1.0725265 -0.4560747 ] [ -0.0532148 0.2212397 -0.2127293 ] [ 0.6141926 -3.1581027 -0.4499241 ] [ -1.3705582 0.0255516 2.1562871 ] [ 2.0581748 2.4192985 -1.0022922 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.686077964119096e-09 -4.260037030104845e-10 8.193095446730342e-10 ] [ 1.609881007516441e-09 -5.040814547482963e-10 -8.758131871234636e-10 ] [ -1.924271960156811e-09 1.718376883488451e-09 -7.307122216783738e-10 ] [ -8.525950844054784e-11 3.544650749328057e-10 -3.408299110191494e-10 ] [ 9.840450243883661e-10 -5.059838312025357e-09 -7.208578741544813e-10 ] [ -2.19587630548573e-09 4.093817614403329e-11 3.454752779352632e-09 ] [ 3.297559546079716e-09 3.876143495436509e-09 -1.605849130050198e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.222937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.759418700291129e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7850902 0.999025 2.6909073 ] [ 2.9265617 1.3003055 1.4360379 ] [ 1.8378598 3.2572664 2.8991946 ] [ 1.9532278 0.178263 4.6578436 ] [ 3.9613199 -0.0045829 3.3009493 ] [ 2.5830927 2.472803 5.1532146 ] [ 4.3468519 2.4644861 3.3810827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.850902e-11 9.990250000000001e-11 2.6909073e-10 ] [ 2.926561700000001e-10 1.3003055e-10 1.4360379e-10 ] [ 1.8378598e-10 3.2572664e-10 2.8991946e-10 ] [ 1.9532278e-10 1.78263e-11 4.6578436e-10 ] [ 3.9613199e-10 -4.582900000000001e-13 3.3009493e-10 ] [ 2.5830927e-10 2.472803e-10 5.1532146e-10 ] [ 4.3468519e-10 2.4644861e-10 3.3810827e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.6e-06 9.4e-06 -1.01e-05 ] [ -2.6e-05 1.8e-06 -2.8e-06 ] [ -2.5e-06 -2.28e-05 2.8e-06 ] [ -1e-06 1.15e-05 -3.3e-06 ] [ 8.4e-06 -1.34e-05 4.4e-06 ] [ 3.1e-06 -0.0 -6.2e-06 ] [ 1.04e-05 1.34e-05 1.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.217654231808e-14 1.506046023552e-14 -1.618198387008e-14 ] [ -4.16565921408e-14 2.88391791744e-15 -4.48609453824e-15 ] [ -4.005441552e-15 -3.652962695424e-14 4.48609453824e-15 ] [ -1.6021766208e-15 1.84250311392e-14 -5.28718284864e-15 ] [ 1.345828361472e-14 -2.146916671872e-14 7.04957713152e-15 ] [ 4.96674752448e-15 0.0 -9.93349504896e-15 ] [ 1.666263685632e-14 2.146916671872e-14 2.435308463616e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }