{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.992977 1.520628 1.322916 ] [ 2.351443 2.977576 3.35114 ] [ 0.8368319 3.514349 1.69894 ] [ 2.887807 3.844369 0.5466762 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992977e-10 1.520628e-10 1.322916e-10 ] [ 2.351443e-10 2.977576e-10 3.35114e-10 ] [ 8.368319e-11 3.514349e-10 1.69894e-10 ] [ 2.887807e-10 3.844369e-10 5.466762e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9094782 -0.3629766 -0.0853712 ] [ 0.2365309 -0.3223351 0.0128548 ] [ -0.6765746 1.2641905 -0.2536478 ] [ -0.4694346 -0.5788788 0.3261642 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.457144709167267e-09 -5.815526224174733e-10 -1.367797407296409e-10 ] [ 3.789642780767827e-10 -5.164377612832301e-10 2.059566002505984e-11 ] [ -1.083992006347112e-09 2.025456463337463e-09 -4.063885750773542e-10 ] [ -7.521171411145997e-10 -9.274660796367592e-10 5.225726557819354e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0513748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.450190109065828e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9094419 1.6308892 1.4988582 ] [ 1.7387423 2.5124632 3.2614146 ] [ 1.1250901 4.2975748 1.9609795 ] [ 2.2957846 3.4159948 0.1984199 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9094419e-10 1.6308892e-10 1.4988582e-10 ] [ 1.7387423e-10 2.5124632e-10 3.2614146e-10 ] [ 1.1250901e-10 4.2975748e-10 1.9609795e-10 ] [ 2.2957846e-10 3.4159948e-10 1.984199e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-06 -1e-06 -4.5e-06 ] [ -1.18e-05 6.8e-06 3.16e-05 ] [ 1.51e-05 -2.65e-05 -7.6e-06 ] [ -1.8e-06 2.07e-05 -1.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4032649312e-15 -1.6021766208e-15 -7.2097947936e-15 ] [ -1.890568412544e-14 1.089480102144e-14 5.062878121728e-14 ] [ 2.419286697408e-14 -4.24576804512e-14 -1.217654231808e-14 ] [ -2.88391791744e-15 3.316505605055999e-14 -3.12424441056e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.238204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.800558770858104e-18 } }